1-methyl-3-piperidin-3-ylpyridin-2-one

C11H16N2O — CID 166162666

IUPAC1-methyl-3-piperidin-3-ylpyridin-2-one
SMILESCn1cccc(C2CCCNC2)c1=O
InChIInChI=1S/C11H16N2O/c1-13-7-3-5-10(11(13)14)9-4-2-6-12-8-9/h3,5,7,9,12H,2,4,6,8H2,1H3
InChIKeyBUNCJASFQIBMIG-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.85
Rot. Bonds1

About 1-methyl-3-piperidin-3-ylpyridin-2-one

1-methyl-3-piperidin-3-ylpyridin-2-one (PubChem CID 166162666) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methyl-3-piperidin-3-ylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-piperidin-3-ylpyridin-2-one
PubChem CID166162666
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-methyl-3-piperidin-3-ylpyridin-2-one
SMILESCn1cccc(C2CCCNC2)c1=O
InChIInChI=1S/C11H16N2O/c1-13-7-3-5-10(11(13)14)9-4-2-6-12-8-9/h3,5,7,9,12H,2,4,6,8H2,1H3
InChIKeyBUNCJASFQIBMIG-UHFFFAOYSA-N
XLogP0.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-piperidin-3-ylpyrazolo[1,5-a]pyridine
CID 83831871
(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine
CID 141288555
ethane;3-(2-methylphenyl)piperidine
CID 144655647
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588
3-(2-methylsulfonylphenyl)piperidine
CID 82388241
(3S)-3-(2-tert-butylphenyl)piperidine
CID 118547022
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
(3S)-3-(1-ethylpyrrol-2-yl)piperidine
CID 125425376
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
3-(3-methyl-2-phenylphenyl)piperidine
CID 143194831
1,5-dimethyl-6-piperidin-3-ylpyrrolo[3,2-b]pyridine
CID 142415545
3-(2,3-dichlorophenyl)piperidine
CID 24904244

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-3-ylpyridin-2-one?
The IUPAC name of 1-methyl-3-piperidin-3-ylpyridin-2-one (CID 166162666) is 1-methyl-3-piperidin-3-ylpyridin-2-one.
What is the SMILES notation for 1-methyl-3-piperidin-3-ylpyridin-2-one?
The canonical SMILES for 1-methyl-3-piperidin-3-ylpyridin-2-one is Cn1cccc(C2CCCNC2)c1=O.
What is the InChIKey of 1-methyl-3-piperidin-3-ylpyridin-2-one?
The InChIKey is BUNCJASFQIBMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-7-3-5-10(11(13)14)9-4-2-6-12-8-9/h3,5,7,9,12H,2,4,6,8H2,1H3.
What are the key properties of 1-methyl-3-piperidin-3-ylpyridin-2-one?
1-methyl-3-piperidin-3-ylpyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-3-ylpyridin-2-one is sourced from PubChem (CID 166162666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).